REMARK  Name = BDB029545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.942  -0.694  -0.865  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        1.935  -0.860   0.353  0.00  0.00    +0.262 A 
ATOM      3  N   LIG    1        1.053  -1.713   1.000  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.024  -1.786   2.373  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        1.802  -1.133   3.167  0.00  0.00    -0.237 NA
ATOM      6  C   LIG    1        2.756  -0.285   2.591  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        3.619   0.427   3.421  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        4.579   1.288   2.877  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        4.713   1.439   1.489  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        3.826   0.749   0.660  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        2.869  -0.112   1.213  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        5.654   2.366   0.992  0.00  0.00    -0.337 N 
ATOM     13  H   LIG    1        6.441   2.476   1.632  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.055   2.493  -0.391  0.00  0.00    +0.122 C 
ATOM     15  C   LIG    1        7.159   3.543  -0.594  0.00  0.00    +0.184 C 
ATOM     16  O   LIG    1        8.177   2.510  -0.662  0.00  0.00    -0.376 OA
ATOM     17  C   LIG    1        7.147   1.495  -0.804  0.00  0.00    +0.184 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  18
ATOM     18  C   LIG    1        0.107  -2.504   0.205  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.024  -1.636  -0.397  0.00  0.00    +0.148 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.604  -1.097  -1.656  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.318  -0.772  -1.560  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.297  -2.499  -0.607  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.558  -1.838  -0.984  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.072  -0.935   0.057  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.367  -0.251  -0.333  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.740  -0.133  -1.684  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.926   0.531  -2.025  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.724   1.099  -1.032  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.348   1.001   0.306  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.897  -0.779  -2.757  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.174   0.333   0.655  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.484  -1.129  -2.268  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7